3-Nitrophenyl (4-chloro-2-methylphenoxy)acetate
TL;DR: 3-Nitrophenyl (4-chloro-2-methylphenoxy)acetate (CAS 433308-10-2) is a chemical compound with molecular formula C15H12ClNO5 and molecular weight 321.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-nitrophenyl) 2-(4-chloro-2-methylphenoxy)acetate
Also Known As: 3-nitrophenyl (4-chloro-2-methylphenoxy)acetate, (3-nitrophenyl) 2-(4-chloro-2-methylphenoxy)acetate, AN-329/40887466, 3-nitrophenyl 2-(4-chloro-2-methylphenoxy)acetate
| Molecular Formula | C15H12ClNO5 |
|---|---|
| Molecular Weight | 321.04 g/mol |
| LogP | 3.54102 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.0404 |
| Heavy Atoms | 22 |
| Complexity | 716.82904 |
Chemical Identifiers
| CAS Number | 433308-10-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)OC2=CC=CC(=C2)[N+](=O)[O-] |
Product Overview
3-Nitrophenyl (4-chloro-2-methylphenoxy)acetate (CAS 433308-10-2), with molecular formula C15H12ClNO5 and molecular weight 321.04 g/mol. IUPAC: (3-nitrophenyl) 2-(4-chloro-2-methylphenoxy)acetate.
Chemical Property Profile of 3-Nitrophenyl (4-chloro-2-methylphenoxy)acetate
Property Insights of 3-Nitrophenyl (4-chloro-2-methylphenoxy)acetate
The XLogP value of 3.54102 indicates that 3-Nitrophenyl (4-chloro-2-methylphenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrophenyl (4-chloro-2-methylphenoxy)acetate. Following Lipinski's Rule of Five, 3-Nitrophenyl (4-chloro-2-methylphenoxy)acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Nitrophenyl (4-chloro-2-methylphenoxy)acetate?
The CAS number of 3-Nitrophenyl (4-chloro-2-methylphenoxy)acetate is 433308-10-2.
What is the molecular formula of 3-Nitrophenyl (4-chloro-2-methylphenoxy)acetate?
The molecular formula of 3-Nitrophenyl (4-chloro-2-methylphenoxy)acetate is C15H12ClNO5.
What is the molecular weight of 3-Nitrophenyl (4-chloro-2-methylphenoxy)acetate?
The molecular weight of 3-Nitrophenyl (4-chloro-2-methylphenoxy)acetate is 321.04 g/mol.
Where can I buy 3-Nitrophenyl (4-chloro-2-methylphenoxy)acetate?
You can request a quote for 3-Nitrophenyl (4-chloro-2-methylphenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrophenyl (4-chloro-2-methylphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrophenyl (4-chloro-2-methylphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.